Spin moment cancelation of high Curie temperature Ir doped ZrO_(2) gradual atomic change (5 pages)

• Z. Zarhri ^[1] ; O. Oubram ^[1] ; L. Cisneros Villalobos ^[1] ; V.A. León Hernández ^[1]
  1. [1] The Autonomous University of the State of Morelos, Mexico
• Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 69, Nº. 4, 2023
• Idioma: inglés
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• Resumen

  • This paper presents the structural, magnetic properties, and spin moment cancelation phenomenon of the zirconium oxide with a gradual change of zirconium for Iridium. The density functional theory (DFT) is shown to be a key feature of magnetic properties of solid materials treatment. It’s shown that a small adjustment of the spin moment (less than 6%) is allowed. The Zr_(1−x)Ir_(x)O_(2) crystal structure deformation leads to a magnetic compensation which occurs atx= 0.06. Spin and orbital moments behaviors are discussed. The stability of the alloys compounds is confirmed by energy calculations. The material presents ferromagnetic stability and an indirect exchange coupling with a hybridization effect that permitted the evolution from a non-magnetic to a host material with magnetic properties. The Ir orbitals are set at the Fermi level and are spin polarized which indicates a half metallic behavior then makes the material a good candidate for spintronics’ applications.